8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride

C7H14Cl2N2O2 — CID 139019988

IUPAC8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride
SMILESCl.Cl.O=C1COCCC2(CNC2)N1
InChIInChI=1S/C7H12N2O2.2ClH/c10-6-3-11-2-1-7(9-6)4-8-5-7;;/h8H,1-5H2,(H,9,10);2*1H
InChIKeyNHALAFSEDFZIEC-UHFFFAOYSA-N
MW229.11 g/mol
LogP-0.29
Rot. Bonds

About 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride

8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride (PubChem CID 139019988) has the molecular formula C7H14Cl2N2O2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride.

Molecular Properties

Compound Name8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride
PubChem CID139019988
Molecular FormulaC7H14Cl2N2O2
Molecular Weight229.11 g/mol
Exact Mass228.04
IUPAC Name8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride
SMILESCl.Cl.O=C1COCCC2(CNC2)N1
InChIInChI=1S/C7H12N2O2.2ClH/c10-6-3-11-2-1-7(9-6)4-8-5-7;;/h8H,1-5H2,(H,9,10);2*1H
InChIKeyNHALAFSEDFZIEC-UHFFFAOYSA-N
XLogP-0.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride?
The IUPAC name of 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride (CID 139019988) is 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride.
What is the SMILES notation for 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride?
The canonical SMILES for 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride is Cl.Cl.O=C1COCCC2(CNC2)N1.
What is the InChIKey of 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride?
The InChIKey is NHALAFSEDFZIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.2ClH/c10-6-3-11-2-1-7(9-6)4-8-5-7;;/h8H,1-5H2,(H,9,10);2*1H.
What are the key properties of 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride?
8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride has a molecular weight of 229.11 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride is sourced from PubChem (CID 139019988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).